SCHEMBL7083789

SCHEMBL7083789

COc1ccc(-c2ccccc2)c(C(=O)Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
CYP2C8 P10632 1/20 0.48
BACE1 P56817 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HDAC8 Q9BY41 1/20 0.47
PLA2G2A P14555 1/20 0.47
PTPN1 P18031 2/20 0.47
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5342329 0.87 SMN1; SMN2 (0.84) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL9723737 0.84 BACE1 (0.56) SMN1; SMN2KDM4EGAAPOLBBACE1
SCHEMBL5311021 0.84 KDM4E (0.82) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL8335877 0.83 ALDH1A1 (0.63) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL8333549 0.81 ALDH1A1 (0.68) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL4131227 0.80 GAA (0.57) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL7894667 0.79 GAA (0.57) KDM4EGAAPOLBTAS1R3TAS1R1
SCHEMBL8333686 0.79 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL8340026 0.79 CYP2C8 (0.71) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL7079259 0.78 HDAC7 (0.57) SMN1; SMN2KDM4EALDH1A1FABP3FABP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed